Glycoside
GD029769
Name:
NoneFormula:
C28H37O16N10P4ClS4Smiles:
CCCSc1nc(N)c2ncn([C@H]3O[C@@H](COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCC)nc65)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCSc1nc(N)c2c(n1)[N]C=N2.CCCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 20 |
| MolWt: | 1045.26 | Num_heavy_atoms: | 62 |
| TPSA: | 389.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD02743
Formula: C8H10N5S
Smiles:
CCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.27 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05097
Formula: C4H7O10P4ClS2
Smiles:
COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.56 | Num_heavy_atoms: | 20 |
| TPSA: | 151.32 | NumAromaticRings: | 0 |
